N-[1-(4-methoxyphenyl)propan-2-yl]octan-4-amine

C18H31NO — CID 106023214

IUPACN-[1-(4-methoxyphenyl)propan-2-yl]octan-4-amine
SMILESCCCCC(CCC)NC(C)Cc1ccc(OC)cc1
InChIInChI=1S/C18H31NO/c1-5-7-9-17(8-6-2)19-15(3)14-16-10-12-18(20-4)13-11-16/h10-13,15,17,19H,5-9,14H2,1-4H3
InChIKeyNMIVFIKMWFMXKP-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.57
Rot. Bonds10

About N-[1-(4-methoxyphenyl)propan-2-yl]octan-4-amine

N-[1-(4-methoxyphenyl)propan-2-yl]octan-4-amine (PubChem CID 106023214) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propan-2-yl]octan-4-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propan-2-yl]octan-4-amine
PubChem CID106023214
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-[1-(4-methoxyphenyl)propan-2-yl]octan-4-amine
SMILESCCCCC(CCC)NC(C)Cc1ccc(OC)cc1
InChIInChI=1S/C18H31NO/c1-5-7-9-17(8-6-2)19-15(3)14-16-10-12-18(20-4)13-11-16/h10-13,15,17,19H,5-9,14H2,1-4H3
InChIKeyNMIVFIKMWFMXKP-UHFFFAOYSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methoxyphenyl)propan-2-yl]hexan-2-amine
CID 62198537
N-[2-(4-methoxyphenyl)ethyl]octan-4-amine
CID 106024444
2-[(4-methoxyphenyl)methyl]-N-methylhexan-1-amine
CID 55083396
N-[(4-methoxyphenyl)methyl]hexan-2-amine
CID 43760039
1-(4-methoxyphenyl)hexan-2-ol
CID 62608607
1-(2-bromohexyl)-4-methoxybenzene
CID 63543278
1-(4-methoxyphenyl)-N-methyldecan-2-amine
CID 63416962
N-[1-(4-fluorophenyl)propan-2-yl]-1-methoxypentan-2-amine
CID 114829888
3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]hexan-1-ol
CID 103787341
2-[(4-methoxyphenyl)methyl]hexanenitrile
CID 132506369
methyl (2S)-2-[1-(4-methoxyphenyl)propan-2-ylamino]-3-methylbutanoate
CID 43508849
4-[2-[1-(4-methoxyphenyl)ethylamino]propyl]phenol
CID 81337841

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propan-2-yl]octan-4-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)propan-2-yl]octan-4-amine (CID 106023214) is N-[1-(4-methoxyphenyl)propan-2-yl]octan-4-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propan-2-yl]octan-4-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)propan-2-yl]octan-4-amine is CCCCC(CCC)NC(C)Cc1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propan-2-yl]octan-4-amine?
The InChIKey is NMIVFIKMWFMXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-7-9-17(8-6-2)19-15(3)14-16-10-12-18(20-4)13-11-16/h10-13,15,17,19H,5-9,14H2,1-4H3.
What are the key properties of N-[1-(4-methoxyphenyl)propan-2-yl]octan-4-amine?
N-[1-(4-methoxyphenyl)propan-2-yl]octan-4-amine has a molecular weight of 277.45 g/mol, XLogP of 4.57, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propan-2-yl]octan-4-amine is sourced from PubChem (CID 106023214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).